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Home> Hot Product Listed 2   > 2-Propanone,2-(11-benzoyl-5,6,7,8,9,10-hexahydro-5,9-iminocycloocta[c]pyridazin-3-yl)hydrazone
14631-20-0 structure

2-Propanone,2-(11-benzoyl-5,6,7,8,9,10-hexahydro-5,9-iminocycloocta[c]pyridazin-3-yl)hydrazone

Iupac Name:N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CAS No.:14631-20-0
EINECS(EC#): 300-008-7
Molecular Weight:153.141
Molecular Formula:C10H9NO4 (isomer)
Names and Identifiers
Synonyms

5,9-Iminocycloocta[c]pyridazin-3(2H)-one,11-benzoyl-5,6,7,8,9,10-hexahydro-, 3-[(1-methylethylidene)hydrazone] (9CI)

Inchi
InChI=1S/C6H7N3O2/c1-4(10)8-5-2-3-7-6(11)9-5/h2-3H,1H3,(H2,7,8,9,10,11)
InChkey
IJCKBIINTQEGLY-UHFFFAOYSA-N
Canonical Smiles
CC(=O)NC1=CC=NC(=O)N1
Properties
Density
1.3
Melting Point
>300℃
Refractive Index
1.625
HS Code
29335995
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S22;S24/25
Transport
20kgs
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:153.141g/mol
  • Molecular Formula:C10H9NO4
  • Compound Is Canonicalized:True
  • XLogP3-AA:_2.4
  • Exact Mass:153.054
  • Monoisotopic Mass:153.054
  • Complexity:255
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:70.6A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjMAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQAAAACADBgAQDAALAAACo ADFzVAAAAAAAAgAAAAAQABCAAAAAAAAAAAAIEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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